SCHEMBL5480331

SCHEMBL5480331

COc1cccc(Nc2nc(-c3ccc(C(F)(F)F)cn3)nc(C)c2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.48
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 1/20 0.46
GAK O14976 1/20 0.45
PTK2 Q05397 1/20 0.44
SYK P43405 1/20 0.44
ULK1 O75385 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APP P05067 1/20 0.41
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
TGFBR1 P36897 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5482665 0.88 METAP1 (0.49) METAP1ABCG2PTK2SYKAPP
SCHEMBL4479894 0.72 METAP1 (0.78) METAP1KDM4EMAPK1SMN1; SMN2MEN1
SCHEMBL5486938 0.72 METAP1 (0.50) METAP1KDM4ELMNASMN1; SMN2TGFBR1
SCHEMBL1416923 0.70 KDM4E (0.56) ABCG2KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL22864100 0.68 GAK (0.61) ABCG2GAKKDM4ELMNAMAPK1
SCHEMBL6452318 0.68 NPC1 (0.64) KDM4ELMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL6454205 0.67 NR1H2 (0.56) ABCG2KDM4ESMN1; SMN2
SCHEMBL30306474 0.67 BRD4 (0.54) ABCG2SYKKDM4ELMNAMAPK1
SCHEMBL265007 0.67 BRD4 (0.54) ABCG2SYKKDM4ELMNAMAPK1
SCHEMBL5482669 0.67 POLB (0.47) ABCG2PTK2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US disclosed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 METAP1 530/4885ABCG2 3307/4885ABCB1 1421/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 METAP1 450/4885ABCG2 3290/4885ABCB1 1468/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.